4-[2-(4-hydroxyphenyl)-2-oxoethyl]piperazin-2-one

C12H14N2O3 — CID 60680436

IUPAC4-[2-(4-hydroxyphenyl)-2-oxoethyl]piperazin-2-one
SMILESO=C1CN(CC(=O)c2ccc(O)cc2)CCN1
InChIInChI=1S/C12H14N2O3/c15-10-3-1-9(2-4-10)11(16)7-14-6-5-13-12(17)8-14/h1-4,15H,5-8H2,(H,13,17)
InChIKeyHDDUFSYJLXCXSE-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.01
Rot. Bonds3

About 4-[2-(4-hydroxyphenyl)-2-oxoethyl]piperazin-2-one

4-[2-(4-hydroxyphenyl)-2-oxoethyl]piperazin-2-one (PubChem CID 60680436) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-[2-(4-hydroxyphenyl)-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-hydroxyphenyl)-2-oxoethyl]piperazin-2-one
PubChem CID60680436
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4-[2-(4-hydroxyphenyl)-2-oxoethyl]piperazin-2-one
SMILESO=C1CN(CC(=O)c2ccc(O)cc2)CCN1
InChIInChI=1S/C12H14N2O3/c15-10-3-1-9(2-4-10)11(16)7-14-6-5-13-12(17)8-14/h1-4,15H,5-8H2,(H,13,17)
InChIKeyHDDUFSYJLXCXSE-UHFFFAOYSA-N
XLogP0.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-methylphenyl)-2-oxoethyl]piperazin-2-one
CID 62052117
4-[2-(3-fluorophenyl)-2-oxoethyl]piperazin-2-one
CID 60680435
4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
CID 60680385
1-phenacyl-1,4-diazepan-5-one
CID 63004139
4-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-1,4-diazepan-2-one
CID 65366624
4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]piperazin-2-one
CID 60680384
4-[2-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one
CID 63605973
1-(4-fluorophenyl)-2-piperazin-1-ylethanone
CID 16769083
4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-2-one
CID 26304691
1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1,4-diazepan-5-one
CID 63003974
1-(4-hydroxyphenyl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 60680512
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxyphenyl)ethanone
CID 60680749

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxyphenyl)-2-oxoethyl]piperazin-2-one?
The IUPAC name of 4-[2-(4-hydroxyphenyl)-2-oxoethyl]piperazin-2-one (CID 60680436) is 4-[2-(4-hydroxyphenyl)-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(4-hydroxyphenyl)-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 4-[2-(4-hydroxyphenyl)-2-oxoethyl]piperazin-2-one is O=C1CN(CC(=O)c2ccc(O)cc2)CCN1.
What is the InChIKey of 4-[2-(4-hydroxyphenyl)-2-oxoethyl]piperazin-2-one?
The InChIKey is HDDUFSYJLXCXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-10-3-1-9(2-4-10)11(16)7-14-6-5-13-12(17)8-14/h1-4,15H,5-8H2,(H,13,17).
What are the key properties of 4-[2-(4-hydroxyphenyl)-2-oxoethyl]piperazin-2-one?
4-[2-(4-hydroxyphenyl)-2-oxoethyl]piperazin-2-one has a molecular weight of 234.25 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxyphenyl)-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 60680436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).